NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-3 Y 4.6691 8.1449 119.1722 56.5449 38.6140 174.1786 -2 F 4.4538 8.6151 122.3478 54.3206 41.9809 173.6262 -1 Q 4.2408 8.6142 125.0023 56.5509 31.8779 177.4514 0 G 3.6000 9.0669 113.1775 45.7381 0.0000 175.9450 -1 K 4.2208 8.5842 125.6023 57.0509 35.5779 178.0514 0 I 3.8100 8.7369 124.2775 61.7381 34.1591 177.4450 4 T 4.3024 8.4874 117.7290 60.3371 70.9938 175.4604 5 T 3.3889 7.9560 110.5314 64.1961 68.3397 176.3377 6 K 3.9687 7.9848 122.2776 59.5167 32.0603 179.3787 7 G 3.5599 8.6585 106.2457 47.8590 0.0000 175.9915 8 R 3.9450 7.8033 120.4995 59.2946 30.0562 178.8167 9 Y 4.5094 8.4045 117.0217 60.5752 37.7874 178.3502 10 G 3.6583 8.2015 107.1238 47.9070 0.0000 175.6735 11 L 4.0704 8.1118 123.2762 57.0691 41.6035 179.5657 12 T 3.8761 8.0668 115.7468 66.8381 68.3701 176.4181 13 I 3.6352 8.0061 121.8298 64.7837 37.3114 178.7491 14 T 3.8815 8.1161 110.5272 64.7093 68.4718 176.5465 15 L 4.1095 8.3538 122.3499 57.5630 41.6896 179.1868 16 E 3.9574 8.1889 118.5844 59.5294 29.2150 179.4673 17 L 4.0391 7.9767 117.6435 57.6220 41.7751 179.2026 18 A 4.1553 8.2116 121.0775 55.0545 18.1453 179.8018 19 K 3.9882 8.2036 116.2372 58.9039 32.2353 178.7916 20 R 4.5521 7.5441 116.4004 54.6914 30.5134 175.7047 21 I 3.7845 6.8823 120.1451 62.6700 38.1827 176.5418 22 G 3.9657 8.9187 115.0606 45.9182 0.0000 173.3586 23 D 4.4874 8.2841 118.7194 54.1296 41.1865 176.8901 24 G 3.9795 8.0121 104.8900 43.6288 0.0000 171.4014 25 P 4.5986 0.0000 0.0000 62.9573 31.9854 176.1771 26 I 4.6770 8.8026 124.8103 59.3303 40.1062 175.3301 27 S 4.6237 8.6164 121.1796 57.9584 64.1185 175.2077 28 L 3.9886 8.9644 122.2813 58.0122 41.2699 179.7166 29 R 3.9782 8.0569 118.1876 59.7175 30.0025 178.4028 30 S 4.0917 8.1675 112.7600 61.3058 62.2732 176.2034 31 I 3.7057 7.8370 122.4667 64.0778 36.7677 178.0257 32 A 3.9067 8.3317 122.1428 55.3052 17.8187 179.5532 33 Q 3.8380 8.2679 118.0174 59.2530 28.9453 177.7314 34 D 4.3435 7.9774 117.8347 56.9935 41.4060 177.5801 35 K 4.2447 7.9895 115.3108 54.7716 33.3719 175.8134 36 N 4.0626 7.5738 116.6751 55.0583 37.5451 172.3354 37 L 4.6114 7.7450 116.4806 52.3092 45.4962 177.4373 38 S 4.2968 8.3491 113.9719 57.8099 62.9165 173.6287 39 E 3.9119 8.9359 130.4414 60.0171 29.1505 178.1429 40 H 4.4483 8.2432 116.0188 59.4817 30.2366 176.1125 41 Y 4.2466 8.0438 120.8639 60.6865 38.6964 177.6712 42 L 3.8817 8.2125 120.0388 57.9410 41.4918 179.2765 43 E 3.9179 8.3665 117.8535 59.4053 29.4375 178.9163 44 Q 4.1021 7.6857 116.2870 57.4220 28.8691 177.3780 45 L 4.1528 7.5210 119.9214 56.5039 42.0212 178.6638 46 I 3.6733 7.5307 118.5026 63.5968 37.7526 177.6114 47 G 3.7085 8.0462 106.3197 47.7296 0.0000 173.6290 48 P 4.2318 0.0000 0.0000 64.7882 31.3055 178.8289 49 L 3.9693 7.5329 116.6870 57.6910 41.4912 179.5336 50 R 4.2306 8.2679 120.4153 59.1189 29.8819 178.3868 51 N 4.4008 8.3724 114.9296 55.4224 38.5823 176.2263 52 A 4.4874 7.6517 119.9180 51.4356 19.1599 177.6764 53 G 3.8757 7.9282 105.5957 46.1135 0.0000 174.9527 54 I 4.1308 8.0147 123.1277 62.8301 38.4060 176.1916 55 V 5.0691 7.7036 113.0180 59.3053 36.6153 174.5103 56 K 4.6644 9.0271 122.7691 54.7727 35.1992 174.8888 57 S 4.4414 8.7911 122.0137 57.4985 63.7603 172.8886 58 I 4.4553 8.3585 130.2734 59.8987 39.3616 176.2592 59 R 4.2110 8.5120 127.5540 57.5811 30.4519 172.1370 60 G 3.8552 8.9260 105.8664 44.2485 0.0000 174.9893 61 A 4.0391 8.5310 121.5382 54.7875 18.4449 177.9980 62 H 4.8649 8.1986 111.9363 55.8468 29.8140 175.5036 63 G 4.0879 8.6224 112.1346 45.0308 0.0000 172.5381 64 G 3.6992 6.5961 108.2946 44.8715 0.0000 172.0291 65 Y 5.1816 8.7961 121.0221 56.3415 42.0229 175.3859 66 V 4.8623 8.5831 113.6576 59.2256 36.6271 174.7447 67 L 4.1741 8.5940 124.7811 55.3577 42.6245 177.0797 68 N 4.6475 10.2026 126.8604 49.6711 37.0369 174.3611 69 G 3.7861 7.5022 107.5922 43.5914 0.0000 168.8709 70 D 4.7543 8.3227 119.9005 51.9351 42.3304 176.1633 71 P 4.2632 0.0000 0.0000 65.5679 31.4833 177.5845 72 E 4.3356 8.7059 115.7850 57.0391 29.7775 177.1214 73 K 4.4263 7.8728 117.6264 57.1196 34.5369 177.0560 74 I 4.0222 7.6545 120.5968 61.2523 37.6122 175.4474 75 T 4.8821 9.2220 116.1490 59.9134 72.1847 175.6695 76 A 4.0800 8.8164 124.0089 55.3304 18.2992 180.3246 77 G 3.6238 8.4330 104.5186 47.8659 0.0000 175.4069 78 D 4.4002 8.2380 121.4204 57.4012 40.7819 179.2224 79 I 3.7076 7.4771 119.6581 64.4734 37.1905 178.6585 80 I 3.7010 8.1081 120.8893 64.6199 36.7997 178.8809 81 R 4.2116 7.9318 117.1001 59.0163 29.9061 178.9245 82 T 3.9997 7.4435 114.4942 66.0472 68.4972 175.7756 83 L 4.3581 7.4761 119.0806 54.6978 42.9887 176.8771 84 E 4.3995 7.8857 117.8592 54.4468 30.7417 176.1282 85 G 3.8487 8.3542 110.8498 44.6057 0.0000 171.3242 86 P 4.2042 0.0000 0.0000 62.9214 31.6288 176.1521 87 I 4.2803 8.1402 123.1696 59.4549 38.5794 175.2632 88 V 3.9501 8.1802 125.7839 61.7977 32.2041 175.3526 89 L 4.1415 8.6262 129.8272 57.5526 42.3755 176.9770 90 V 4.1895 7.1239 114.0941 60.3101 33.6870 172.0871 91 E 4.4886 8.0617 122.3697 54.3687 31.8997 176.4114 92 S 5.0039 8.2044 125.4502 58.1269 63.5848 173.8890 *94 E 4.4879 8.7557 110.9193 56.0671 31.6923 174.0758 95 D 4.4823 8.0630 116.8287 55.1700 40.0858 176.6563 96 E 4.0588 7.6368 120.6008 56.8174 30.2064 176.2212 97 E 4.7940 8.3612 120.8672 54.4167 33.2401 176.9964 98 A 3.9719 8.4632 120.8928 55.6583 17.9748 179.6813 99 A 3.8612 7.8239 117.6753 55.3735 18.8362 179.4652 100 Q 3.6703 7.8165 116.0409 59.0079 28.8177 178.8481 101 R 3.9175 7.7867 118.9322 59.0586 30.0073 178.5970 102 E 3.8616 8.2229 119.4091 59.0274 29.2974 178.6820 103 L 3.7977 7.0632 119.2915 57.9366 42.1980 178.7343 104 W 4.7842 7.4661 116.9456 60.1397 29.2763 178.0371 105 T 4.1791 8.3709 116.0558 66.7382 67.9005 177.8267 106 R 4.2442 7.9704 117.6287 56.5132 29.8834 178.7659 *108 R 4.2393 7.9392 120.2246 56.5747 31.9881 177.1732 109 N 4.3332 8.4614 115.2226 56.2609 38.4458 177.3396 110 A 4.0027 8.0752 122.2253 55.1814 18.5342 179.9361 111 V 3.5660 7.7138 116.3770 65.9003 31.7325 178.0154 112 R 3.8887 8.2028 118.6544 59.5975 29.9367 178.1781 113 D 4.3733 8.2194 118.6354 57.3030 40.8663 178.9038 114 V 3.5724 7.7285 118.5326 66.1139 31.4490 177.9989 115 L 3.9881 7.9950 118.5501 57.8714 41.2772 178.9106 116 D 4.5009 8.0856 116.6354 55.3790 41.1754 177.1071 117 Q 4.4979 7.9522 116.0933 55.6611 30.3310 175.3328 118 T 4.5638 7.7688 116.5042 62.4366 69.7084 174.7200 119 T 4.8401 8.6097 117.5650 60.2041 72.0279 175.8598 120 L 4.0051 8.3654 121.2955 58.0264 41.6097 180.0682 121 S 4.1134 8.1989 115.0407 61.7253 62.5640 176.3609 122 D 4.3844 7.9780 120.2357 57.5381 40.9916 178.7060 123 L 4.1666 8.0004 119.2231 57.8765 41.4077 179.6363 124 L 4.1046 8.0106 118.0502 57.6934 41.5662 179.4420 125 K 3.9446 8.0708 117.9711 57.4513 33.3527 177.1554 126 H 4.0424 7.4827 112.1063 56.6174 27.3683 174.5220 127 S 4.5803 7.6494 112.3096 59.0904 64.3124 175.0618 128 T 4.2982 7.6003 118.3275 62.4379 69.3194 173.8784 129 D 4.4772 8.6088 125.6667 54.0528 41.4421 176.3277 130 S 4.2894 8.7869 122.2198 59.6405 63.2400 175.1207 131 E 3.6905 8.2789 117.1506 56.5096 27.4582 174.7037 132 L 4.1537 7.4625 119.5542 53.7312 40.3963 176.7072 133 T 3.8910 8.3393 115.3885 64.4136 68.7797 173.6147 134 D 4.0964 7.8432 118.6697 53.4522 41.5153 175.4185 135 G 3.5502 8.2660 108.2444 45.0159 0.0000 172.9279 136 Y 4.5292 7.6757 111.3801 55.9199 38.0139 174.7305 *138 F 4.1029 7.7855 116.3403 57.3464 39.5920 174.3025 139 Y 4.6544 8.1744 123.1325 56.6338 39.2536 176.2553 140 I 4.1238 8.4164 115.5306 61.1685 38.0337 175.5583 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ *-3 Y 8.14 4.67 0.00 2.35 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 F 8.62 4.45 0.00 2.94 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 Q 8.61 4.24 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.71 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 0 G 9.07 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 K 8.58 4.22 0.00 1.73 1.79 0.00 0.61 0.00 0.00 1.71 0.00 0.00 2.13 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.33 7.81 0 I 8.74 3.81 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.48 0.91 0.00 0.00 4 T 8.49 4.30 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 5 T 7.96 3.39 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 6 K 7.98 3.97 0.00 2.03 1.92 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.48 7.81 7 G 8.66 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 7.80 3.95 0.00 1.79 2.03 0.00 2.95 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 9 Y 8.40 4.51 0.00 3.04 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 8.20 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.11 4.07 0.00 1.91 1.74 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.07 3.88 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 13 I 8.01 3.64 1.96 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.69 0.81 0.00 0.00 14 T 8.12 3.88 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 15 L 8.35 4.11 0.00 1.75 1.76 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.19 3.96 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 17 L 7.98 4.04 0.00 1.75 1.83 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.21 4.16 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.20 3.99 0.00 1.93 1.90 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.49 1.64 7.81 20 R 7.54 4.55 0.00 2.19 1.92 0.00 3.19 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.86 0.00 21 I 6.88 3.78 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.75 0.96 0.00 0.00 22 G 8.92 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.28 4.49 0.00 2.81 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.01 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.60 0.00 2.05 1.95 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.10 0.00 26 I 8.80 4.68 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.08 0.94 0.00 0.00 27 S 8.62 4.62 0.00 3.94 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.96 3.99 0.00 1.75 1.76 0.81 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.06 3.98 0.00 2.17 1.95 0.00 3.18 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 30 S 8.17 4.09 0.00 3.94 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.84 3.71 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.63 0.86 0.00 0.00 32 A 8.33 3.91 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.27 3.84 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 34 D 7.98 4.34 0.00 2.83 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 K 7.99 4.24 0.00 1.62 1.69 0.00 1.88 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.50 1.49 7.81 36 N 7.57 4.06 0.00 2.78 2.77 0.00 0.00 6.91 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.74 4.61 0.00 1.46 1.30 0.36 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.35 4.30 0.00 3.93 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.94 3.91 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 40 H 8.24 4.45 0.00 3.15 3.40 0.00 5.98 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 8.04 4.25 0.00 3.12 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.21 3.88 0.00 1.87 1.63 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.37 3.92 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 44 Q 7.69 4.10 0.00 1.84 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 45 L 7.52 4.15 0.00 1.63 1.55 0.91 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.53 3.67 1.63 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.86 0.81 0.00 0.00 47 G 8.05 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.23 0.00 2.11 2.07 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 49 L 7.53 3.97 0.00 1.84 1.67 0.84 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.27 4.23 0.00 2.01 2.12 0.00 3.19 0.00 0.00 3.38 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 51 N 8.37 4.40 0.00 2.71 2.86 0.00 0.00 7.00 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.65 4.49 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.93 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.01 4.13 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.65 0.91 0.00 0.00 55 V 7.70 5.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.95 0.00 0.00 56 K 9.03 4.66 0.00 1.80 1.62 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.35 7.81 57 S 8.79 4.44 0.00 3.88 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.36 4.46 1.76 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.72 0.86 0.00 0.00 59 R 8.51 4.21 0.00 1.60 1.72 0.00 3.24 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 60 G 8.93 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.53 4.04 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.20 4.86 0.00 3.09 3.33 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.62 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 6.60 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Y 8.80 5.18 0.00 2.90 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.58 4.86 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.94 0.00 0.00 67 L 8.59 4.17 0.00 1.65 1.58 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 68 N 10.20 4.65 0.00 2.65 2.92 0.00 0.00 7.22 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 7.50 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.32 4.75 0.00 2.68 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.26 0.00 2.22 2.11 0.00 3.64 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 72 E 8.71 4.34 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 73 K 7.87 4.43 0.00 1.71 1.82 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.37 7.81 74 I 7.65 4.02 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.03 0.96 0.00 0.00 75 T 9.22 4.88 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 76 A 8.82 4.08 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.43 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 D 8.24 4.40 0.00 2.89 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 I 7.48 3.71 1.96 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.03 0.92 0.00 0.00 80 I 8.11 3.70 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.78 0.88 0.00 0.00 81 R 7.93 4.21 0.00 1.86 1.98 0.00 3.16 0.00 0.00 3.21 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 82 T 7.44 4.00 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 83 L 7.48 4.36 0.00 1.51 1.65 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 84 E 7.89 4.40 0.00 2.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 85 G 8.35 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.20 0.00 2.03 2.00 0.00 3.63 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 87 I 8.14 4.28 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.73 0.88 0.00 0.00 88 V 8.18 3.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.90 0.00 0.00 89 L 8.63 4.14 0.00 1.61 1.64 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.12 4.19 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 -0.33 0.00 0.00 91 E 8.06 4.49 0.00 1.81 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 92 S 8.20 5.00 0.00 3.99 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *94 E 8.76 4.49 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.88 0.00 95 D 8.06 4.48 0.00 2.78 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 7.64 4.06 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 97 E 8.36 4.79 0.00 1.98 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 98 A 8.46 3.97 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.82 3.86 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 7.82 3.67 0.00 2.12 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.84 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 101 R 7.79 3.92 0.00 2.00 2.03 0.00 3.22 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.71 0.00 102 E 8.22 3.86 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 103 L 7.06 3.80 0.00 1.30 0.95 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 104 W 7.47 4.78 0.00 3.41 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 T 8.37 4.18 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 106 R 7.97 4.24 0.00 2.00 1.96 0.00 3.13 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 *108 R 7.94 4.24 0.00 2.04 2.19 0.00 3.37 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 109 N 8.46 4.33 0.00 2.91 2.87 0.00 0.00 6.99 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.08 4.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.71 3.57 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.95 0.00 0.00 112 R 8.20 3.89 0.00 1.98 2.11 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 113 D 8.22 4.37 0.00 2.89 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.73 3.57 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.96 0.00 0.00 115 L 7.99 3.99 0.00 1.93 1.70 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 116 D 8.09 4.50 0.00 2.66 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 7.95 4.50 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.67 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 118 T 7.77 4.56 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 119 T 8.61 4.84 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 120 L 8.37 4.01 0.00 1.87 1.77 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 121 S 8.20 4.11 0.00 3.88 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 7.98 4.38 0.00 2.86 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 L 8.00 4.17 0.00 1.88 1.73 0.92 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 124 L 8.01 4.10 0.00 1.74 1.75 0.93 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 125 K 8.07 3.94 0.00 1.74 1.82 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.60 7.81 126 H 7.48 4.04 0.00 3.34 3.58 0.00 5.74 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 S 7.65 4.58 0.00 4.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 T 7.60 4.30 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 129 D 8.61 4.48 0.00 2.64 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 S 8.79 4.29 0.00 4.23 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.28 3.69 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.51 0.00 132 L 7.46 4.15 0.00 1.47 1.46 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 133 T 8.34 3.89 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 134 D 7.84 4.10 0.00 2.62 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 G 8.27 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 Y 7.68 4.53 0.00 2.94 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *138 F 7.79 4.10 0.00 2.98 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Y 8.17 4.65 0.00 2.97 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 I 8.42 4.12 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.66 1.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.